(2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate

C30H21NO2 — CID 102481902

IUPAC(2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate
SMILESO=C(Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccn1)c1ccccc1
InChIInChI=1S/C30H21NO2/c32-30(24-16-8-3-9-17-24)33-29-26(23-14-6-2-7-15-23)20-25(22-12-4-1-5-13-22)21-27(29)28-18-10-11-19-31-28/h1-21H
InChIKeyISLNRLQNJJERTO-UHFFFAOYSA-N
MW427.50 g/mol
LogP7.30
Rot. Bonds5

About (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate

(2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate (PubChem CID 102481902) has the molecular formula C30H21NO2 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate.

Molecular Properties

Compound Name(2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate
PubChem CID102481902
Molecular FormulaC30H21NO2
Molecular Weight427.50 g/mol
Exact Mass427.16
IUPAC Name(2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate
SMILESO=C(Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccn1)c1ccccc1
InChIInChI=1S/C30H21NO2/c32-30(24-16-8-3-9-17-24)33-29-26(23-14-6-2-7-15-23)20-25(22-12-4-1-5-13-22)21-27(29)28-18-10-11-19-31-28/h1-21H
InChIKeyISLNRLQNJJERTO-UHFFFAOYSA-N
XLogP7.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate
CID 123135219
(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187631
2,7-diphenylbenzo[e]pyrene;1,3,6,8-tetraphenylpyrene;2-(3,6,8-tripyridin-2-ylpyren-1-yl)pyridine
CID 158692586
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
(2-benzoyloxy-5-tert-butyl-3-phenylphenyl) benzoate
CID 67425020
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028909
3-benzoyloxy-4-phenylbenzoic acid
CID 19859975
CID 142296777
CID 142296777
2-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]pyridine
CID 58028994
methyl 6-methyl-4-pyridin-2-ylquinoline-2-carboxylate
CID 141467624
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724

Frequently Asked Questions

What is the IUPAC name of (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate?
The IUPAC name of (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate (CID 102481902) is (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate.
What is the SMILES notation for (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate?
The canonical SMILES for (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate is O=C(Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccn1)c1ccccc1.
What is the InChIKey of (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate?
The InChIKey is ISLNRLQNJJERTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO2/c32-30(24-16-8-3-9-17-24)33-29-26(23-14-6-2-7-15-23)20-25(22-12-4-1-5-13-22)21-27(29)28-18-10-11-19-31-28/h1-21H.
What are the key properties of (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate?
(2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate has a molecular weight of 427.50 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate is sourced from PubChem (CID 102481902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).